Compound Detail
CHEMBL3415950
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N=C(N)N1C[C@@H]2[C@H](C1)[C@@H]1[C@@H]3[C@H]4C=C[C@H]5[C@@H]3[C@H]2[C@H]2[C@@H]5[C@@H]4[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3415950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZINRACQXYLIISJ-ADKSMTRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
1.23
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix protein 2 CHEMBL1932894 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix protein 2 | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expres... | 25899336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25899336 | 10.1016/j.ejmech.2015.04.030 | Matrix protein 2 | 5 |
| 25899336 | 10.1016/j.ejmech.2015.04.030 | NON-PROTEIN TARGET | 4 |
| 25899336 | 10.1016/j.ejmech.2015.04.030 | Influenza A virus | 2 |
| 25899336 | 10.1016/j.ejmech.2015.04.030 | MDCK | 2 |
| 25899336 | 10.1016/j.ejmech.2015.04.030 | Influenza B virus | 1 |
Data from ChEMBL 36 via Core Engine